[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC(=C(C=C2C)C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC(=C(C=C2C)C)C)OC

InChI

InChI=1S/C21H23NO7/c1-6-28-20-10-17(22(25)26)16(9-19(20)27-5)21(24)29-11-18(23)15-8-13(3)12(2)7-14(15)4/h7-10H,6,11H2,1-5H3